Matches in SemOpenAlex for { <https://semopenalex.org/work/W2067630710> ?p ?o ?g. }
Showing items 1 to 67 of
67
with 100 items per page.
- W2067630710 abstract "We have studied equation of states (EOS) and pressure induced structural transitions of PaN using first principles electronic structure and total energy calculations. We have predicted that PaN undergoes a structural transition from NaCl to R-3m structure at around 55 GPa pressure. We have also calculated the enthalpy as a function of rhombohedral angle at constant pressures for the Buerger pathway of B1-B2 transition where R-3m is the intermediate state. We have showed that NaCl structure becomes mechanically unstable and f electrons of Pa plays crucial role to stabilize R-3m structure instead of CsCl at high pressure." @default.
- W2067630710 created "2016-06-24" @default.
- W2067630710 creator A5033321366 @default.
- W2067630710 creator A5083968218 @default.
- W2067630710 date "2013-01-01" @default.
- W2067630710 modified "2023-10-18" @default.
- W2067630710 title "First-principles investigations of equation of states and phase transitions in PaN under pressure" @default.
- W2067630710 doi "https://doi.org/10.1063/1.4790920" @default.
- W2067630710 hasPublicationYear "2013" @default.
- W2067630710 type Work @default.
- W2067630710 sameAs 2067630710 @default.
- W2067630710 citedByCount "3" @default.
- W2067630710 countsByYear W20676307102013 @default.
- W2067630710 countsByYear W20676307102016 @default.
- W2067630710 countsByYear W20676307102021 @default.
- W2067630710 crossrefType "proceedings-article" @default.
- W2067630710 hasAuthorship W2067630710A5033321366 @default.
- W2067630710 hasAuthorship W2067630710A5083968218 @default.
- W2067630710 hasConcept C115624301 @default.
- W2067630710 hasConcept C121332964 @default.
- W2067630710 hasConcept C147120987 @default.
- W2067630710 hasConcept C149288129 @default.
- W2067630710 hasConcept C178790620 @default.
- W2067630710 hasConcept C185592680 @default.
- W2067630710 hasConcept C192562407 @default.
- W2067630710 hasConcept C194185919 @default.
- W2067630710 hasConcept C26873012 @default.
- W2067630710 hasConcept C3288061 @default.
- W2067630710 hasConcept C44280652 @default.
- W2067630710 hasConcept C53810900 @default.
- W2067630710 hasConcept C62520636 @default.
- W2067630710 hasConcept C8010536 @default.
- W2067630710 hasConcept C86025842 @default.
- W2067630710 hasConcept C97355855 @default.
- W2067630710 hasConceptScore W2067630710C115624301 @default.
- W2067630710 hasConceptScore W2067630710C121332964 @default.
- W2067630710 hasConceptScore W2067630710C147120987 @default.
- W2067630710 hasConceptScore W2067630710C149288129 @default.
- W2067630710 hasConceptScore W2067630710C178790620 @default.
- W2067630710 hasConceptScore W2067630710C185592680 @default.
- W2067630710 hasConceptScore W2067630710C192562407 @default.
- W2067630710 hasConceptScore W2067630710C194185919 @default.
- W2067630710 hasConceptScore W2067630710C26873012 @default.
- W2067630710 hasConceptScore W2067630710C3288061 @default.
- W2067630710 hasConceptScore W2067630710C44280652 @default.
- W2067630710 hasConceptScore W2067630710C53810900 @default.
- W2067630710 hasConceptScore W2067630710C62520636 @default.
- W2067630710 hasConceptScore W2067630710C8010536 @default.
- W2067630710 hasConceptScore W2067630710C86025842 @default.
- W2067630710 hasConceptScore W2067630710C97355855 @default.
- W2067630710 hasLocation W20676307101 @default.
- W2067630710 hasOpenAccess W2067630710 @default.
- W2067630710 hasPrimaryLocation W20676307101 @default.
- W2067630710 hasRelatedWork W1537388480 @default.
- W2067630710 hasRelatedWork W1930805725 @default.
- W2067630710 hasRelatedWork W1990255077 @default.
- W2067630710 hasRelatedWork W2017463240 @default.
- W2067630710 hasRelatedWork W2067630710 @default.
- W2067630710 hasRelatedWork W2097321734 @default.
- W2067630710 hasRelatedWork W2532833400 @default.
- W2067630710 hasRelatedWork W2906051889 @default.
- W2067630710 hasRelatedWork W3049029846 @default.
- W2067630710 hasRelatedWork W4286273192 @default.
- W2067630710 isParatext "false" @default.
- W2067630710 isRetracted "false" @default.
- W2067630710 magId "2067630710" @default.
- W2067630710 workType "article" @default.